REMARK Name = LIG000856 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.187 -1.562 -0.130 0.00 0.00 +0.248 C ATOM 2 N LIG 1 -0.803 -0.606 0.018 0.00 0.00 -0.281 N ATOM 3 H LIG 1 -0.498 0.355 0.094 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.033 -2.749 -0.389 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 10 ATOM 5 C LIG 1 6.550 -0.192 -0.535 0.00 0.00 +0.121 A ATOM 6 C LIG 1 5.559 0.330 0.299 0.00 0.00 +0.054 A ATOM 7 C LIG 1 4.229 -0.125 0.211 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.897 -1.123 -0.734 0.00 0.00 -0.017 A ATOM 9 C LIG 1 2.572 -1.578 -0.822 0.00 0.00 +0.021 A ATOM 10 C LIG 1 1.577 -1.045 0.007 0.00 0.00 +0.038 A ATOM 11 C LIG 1 1.908 -0.071 0.954 0.00 0.00 +0.013 A ATOM 12 C LIG 1 4.899 -1.639 -1.566 0.00 0.00 +0.012 A ATOM 13 C LIG 1 3.225 0.386 1.050 0.00 0.00 +0.009 A ATOM 14 C LIG 1 6.212 -1.174 -1.466 0.00 0.00 +0.046 A BRANCH 5 15 ATOM 15 O LIG 1 7.868 0.170 -0.545 0.00 0.00 -0.492 OA BRANCH 15 16 ATOM 16 C LIG 1 8.297 1.113 0.435 0.00 0.00 +0.229 C BRANCH 16 17 ATOM 17 C LIG 1 9.802 1.339 0.282 0.00 0.00 +0.041 C BRANCH 17 19 ATOM 18 C LIG 1 10.551 -0.585 1.783 0.00 0.00 +0.004 C ATOM 19 C LIG 1 10.651 0.071 0.414 0.00 0.00 -0.000 C ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 5 15 ENDBRANCH 1 10 BRANCH 2 20 ATOM 20 C LIG 1 -2.200 -0.805 -0.025 0.00 0.00 +0.034 A ATOM 21 C LIG 1 -3.005 0.345 0.066 0.00 0.00 +0.029 A ATOM 22 C LIG 1 -4.384 0.201 0.034 0.00 0.00 -0.016 A ATOM 23 C LIG 1 -5.454 1.237 0.087 0.00 0.00 +0.144 C ATOM 24 N LIG 1 -6.673 0.441 0.104 0.00 0.00 -0.282 N ATOM 25 C LIG 1 -6.412 -0.906 -0.102 0.00 0.00 +0.248 C ATOM 26 O LIG 1 -7.204 -1.811 -0.280 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 -4.954 -1.062 -0.088 0.00 0.00 +0.042 A ATOM 28 C LIG 1 -4.196 -2.211 -0.181 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -2.804 -2.073 -0.144 0.00 0.00 +0.024 A BRANCH 24 30 ATOM 30 C LIG 1 -7.985 1.059 -0.065 0.00 0.00 +0.163 C ATOM 31 C LIG 1 -8.346 1.201 -1.552 0.00 0.00 +0.240 C ATOM 32 O LIG 1 -7.512 1.387 -2.437 0.00 0.00 -0.273 OA ATOM 33 N LIG 1 -9.690 1.237 -1.845 0.00 0.00 -0.255 N ATOM 34 H LIG 1 -9.925 1.368 -2.819 0.00 0.00 +0.158 HD ATOM 35 C LIG 1 -10.743 1.253 -0.966 0.00 0.00 +0.219 C ATOM 36 O LIG 1 -11.890 1.454 -1.356 0.00 0.00 -0.275 OA ATOM 37 C LIG 1 -10.407 1.109 0.500 0.00 0.00 +0.098 C ATOM 38 C LIG 1 -9.104 0.348 0.695 0.00 0.00 +0.041 C ENDBRANCH 24 30 ENDBRANCH 2 20 TORSDOF 7